N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C18H15Cl2N5O2S — CID 57393136

IUPACN-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C18H15Cl2N5O2S/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24)
InChIKeyRAUHCGOPQCCBOW-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.32
Rot. Bonds6

About N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 57393136) has the molecular formula C18H15Cl2N5O2S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID57393136
Molecular FormulaC18H15Cl2N5O2S
Molecular Weight436.32 g/mol
Exact Mass435.03
IUPAC NameN-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C18H15Cl2N5O2S/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24)
InChIKeyRAUHCGOPQCCBOW-UHFFFAOYSA-N
XLogP4.32
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 57393136) is N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is O=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is RAUHCGOPQCCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2S/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24).
What are the key properties of N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 436.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 57393136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).